JDQ
Summary
| Name: | 3-[1-(phenylmethyl)indol-6-yl]-1~{H}-pyrazol-5-amine |
| Formula: | C18 H16 N4 |
| Formal charge: | 0 |
| Formula weight: | 288.346 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[1-(phenylmethyl)indol-6-yl]-1~{H}-pyrazol-5-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H16N4/c19-18-11-16(20-21-18)15-7-6-14-8-9-22(17(14)10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H3,19,20,21) |
| InChIKey | InChI | 1.03 | IXGUTMYAJBKSPV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccccc4)c3c2 |
| SMILES | CACTVS | 3.385 | Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccccc4)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N |
